USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 THR OG1 : rot -29:sc= 1.21 USER MOD Set 1.2: A 12 GLN : amide:sc= 1.66 K(o=2.9,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.091 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 51:sc= 0.198 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 140:sc= -0.0134 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -170:sc= -0.687 USER MOD Single : A 42 SER OG : rot 68:sc= 0.581 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-4.7) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.11) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.994 -22.893 -15.026 1.00 0.00 N ATOM 2 CA GLY A 1 -2.678 -22.358 -15.323 1.00 0.00 C ATOM 3 C GLY A 1 -2.243 -21.302 -14.326 1.00 0.00 C ATOM 4 O GLY A 1 -2.901 -21.092 -13.307 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.923 -23.918 -14.862 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.372 -22.431 -14.174 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.631 -22.714 -15.829 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.951 -23.170 -15.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.681 -21.928 -16.325 1.00 0.00 H new ATOM 8 N SER A 2 -1.130 -20.637 -14.619 1.00 0.00 N ATOM 9 CA SER A 2 -0.605 -19.600 -13.738 1.00 0.00 C ATOM 10 C SER A 2 0.102 -18.512 -14.541 1.00 0.00 C ATOM 11 O SER A 2 0.282 -18.637 -15.752 1.00 0.00 O ATOM 12 CB SER A 2 0.361 -20.209 -12.720 1.00 0.00 C ATOM 13 OG SER A 2 0.690 -19.274 -11.707 1.00 0.00 O ATOM 0 H SER A 2 -0.575 -20.798 -15.459 1.00 0.00 H new ATOM 0 HA SER A 2 -1.443 -19.148 -13.208 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.090 -21.094 -12.270 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.269 -20.536 -13.226 1.00 0.00 H new ATOM 0 HG SER A 2 1.307 -19.688 -11.068 1.00 0.00 H new ATOM 19 N SER A 3 0.500 -17.445 -13.856 1.00 0.00 N ATOM 20 CA SER A 3 1.184 -16.332 -14.504 1.00 0.00 C ATOM 21 C SER A 3 2.013 -15.542 -13.495 1.00 0.00 C ATOM 22 O SER A 3 1.895 -15.741 -12.287 1.00 0.00 O ATOM 23 CB SER A 3 0.170 -15.408 -15.182 1.00 0.00 C ATOM 24 OG SER A 3 0.507 -15.192 -16.541 1.00 0.00 O ATOM 0 H SER A 3 0.361 -17.328 -12.852 1.00 0.00 H new ATOM 0 HA SER A 3 1.855 -16.741 -15.259 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.826 -15.845 -15.116 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.135 -14.454 -14.657 1.00 0.00 H new ATOM 0 HG SER A 3 -0.157 -14.600 -16.953 1.00 0.00 H new ATOM 30 N GLY A 4 2.853 -14.645 -14.002 1.00 0.00 N ATOM 31 CA GLY A 4 3.690 -13.838 -13.134 1.00 0.00 C ATOM 32 C GLY A 4 3.960 -12.461 -13.705 1.00 0.00 C ATOM 33 O GLY A 4 3.286 -12.025 -14.638 1.00 0.00 O ATOM 0 H GLY A 4 2.969 -14.463 -14.999 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.208 -13.736 -12.162 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.637 -14.351 -12.968 1.00 0.00 H new ATOM 37 N SER A 5 4.948 -11.772 -13.143 1.00 0.00 N ATOM 38 CA SER A 5 5.303 -10.433 -13.598 1.00 0.00 C ATOM 39 C SER A 5 6.638 -9.993 -13.006 1.00 0.00 C ATOM 40 O SER A 5 7.184 -10.652 -12.121 1.00 0.00 O ATOM 41 CB SER A 5 4.209 -9.435 -13.215 1.00 0.00 C ATOM 42 OG SER A 5 3.434 -9.069 -14.343 1.00 0.00 O ATOM 0 H SER A 5 5.517 -12.119 -12.371 1.00 0.00 H new ATOM 0 HA SER A 5 5.398 -10.459 -14.684 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.564 -9.873 -12.453 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.661 -8.545 -12.777 1.00 0.00 H new ATOM 0 HG SER A 5 3.133 -9.877 -14.809 1.00 0.00 H new ATOM 48 N SER A 6 7.159 -8.875 -13.502 1.00 0.00 N ATOM 49 CA SER A 6 8.433 -8.349 -13.026 1.00 0.00 C ATOM 50 C SER A 6 8.351 -6.840 -12.814 1.00 0.00 C ATOM 51 O SER A 6 7.980 -6.094 -13.719 1.00 0.00 O ATOM 52 CB SER A 6 9.548 -8.676 -14.020 1.00 0.00 C ATOM 53 OG SER A 6 9.273 -9.878 -14.718 1.00 0.00 O ATOM 0 H SER A 6 6.719 -8.316 -14.233 1.00 0.00 H new ATOM 0 HA SER A 6 8.659 -8.822 -12.070 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.658 -7.857 -14.730 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.496 -8.768 -13.490 1.00 0.00 H new ATOM 0 HG SER A 6 10.000 -10.064 -15.348 1.00 0.00 H new ATOM 59 N GLY A 7 8.702 -6.398 -11.610 1.00 0.00 N ATOM 60 CA GLY A 7 8.661 -4.980 -11.300 1.00 0.00 C ATOM 61 C GLY A 7 9.665 -4.181 -12.107 1.00 0.00 C ATOM 62 O GLY A 7 10.640 -4.732 -12.619 1.00 0.00 O ATOM 0 H GLY A 7 9.014 -6.996 -10.844 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.658 -4.598 -11.492 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.858 -4.838 -10.237 1.00 0.00 H new ATOM 66 N PHE A 8 9.426 -2.879 -12.224 1.00 0.00 N ATOM 67 CA PHE A 8 10.315 -2.003 -12.978 1.00 0.00 C ATOM 68 C PHE A 8 11.089 -1.079 -12.042 1.00 0.00 C ATOM 69 O PHE A 8 10.507 -0.224 -11.376 1.00 0.00 O ATOM 70 CB PHE A 8 9.515 -1.174 -13.985 1.00 0.00 C ATOM 71 CG PHE A 8 8.806 -2.005 -15.016 1.00 0.00 C ATOM 72 CD1 PHE A 8 9.514 -2.862 -15.842 1.00 0.00 C ATOM 73 CD2 PHE A 8 7.430 -1.928 -15.159 1.00 0.00 C ATOM 74 CE1 PHE A 8 8.864 -3.628 -16.791 1.00 0.00 C ATOM 75 CE2 PHE A 8 6.774 -2.692 -16.106 1.00 0.00 C ATOM 76 CZ PHE A 8 7.492 -3.542 -16.924 1.00 0.00 C ATOM 0 H PHE A 8 8.624 -2.407 -11.806 1.00 0.00 H new ATOM 0 HA PHE A 8 11.028 -2.626 -13.517 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.782 -0.573 -13.448 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.188 -0.480 -14.489 1.00 0.00 H new ATOM 0 HD1 PHE A 8 10.587 -2.933 -15.743 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.864 -1.264 -14.523 1.00 0.00 H new ATOM 0 HE1 PHE A 8 9.428 -4.293 -17.428 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.701 -2.624 -16.206 1.00 0.00 H new ATOM 0 HZ PHE A 8 6.982 -4.138 -17.666 1.00 0.00 H new ATOM 86 N SER A 9 12.405 -1.260 -11.998 1.00 0.00 N ATOM 87 CA SER A 9 13.260 -0.446 -11.142 1.00 0.00 C ATOM 88 C SER A 9 12.915 -0.657 -9.671 1.00 0.00 C ATOM 89 O SER A 9 11.917 -1.300 -9.341 1.00 0.00 O ATOM 90 CB SER A 9 13.119 1.034 -11.503 1.00 0.00 C ATOM 91 OG SER A 9 14.387 1.658 -11.602 1.00 0.00 O ATOM 0 H SER A 9 12.902 -1.963 -12.545 1.00 0.00 H new ATOM 0 HA SER A 9 14.293 -0.755 -11.303 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.587 1.132 -12.450 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.519 1.540 -10.747 1.00 0.00 H new ATOM 0 HG SER A 9 14.269 2.603 -11.835 1.00 0.00 H new ATOM 97 N LYS A 10 13.746 -0.112 -8.790 1.00 0.00 N ATOM 98 CA LYS A 10 13.531 -0.238 -7.353 1.00 0.00 C ATOM 99 C LYS A 10 12.947 1.047 -6.776 1.00 0.00 C ATOM 100 O LYS A 10 13.604 2.089 -6.762 1.00 0.00 O ATOM 101 CB LYS A 10 14.846 -0.576 -6.647 1.00 0.00 C ATOM 102 CG LYS A 10 14.659 -1.326 -5.340 1.00 0.00 C ATOM 103 CD LYS A 10 15.989 -1.597 -4.657 1.00 0.00 C ATOM 104 CE LYS A 10 16.316 -3.082 -4.643 1.00 0.00 C ATOM 105 NZ LYS A 10 17.146 -3.456 -3.465 1.00 0.00 N ATOM 0 H LYS A 10 14.576 0.422 -9.046 1.00 0.00 H new ATOM 0 HA LYS A 10 12.819 -1.046 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 10 15.464 -1.176 -7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.392 0.347 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.019 -0.746 -4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.148 -2.270 -5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.781 -1.054 -5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.957 -1.221 -3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.390 -3.658 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.845 -3.346 -5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.347 -4.476 -3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.040 -2.926 -3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.631 -3.228 -2.591 1.00 0.00 H new ATOM 119 N THR A 11 11.709 0.967 -6.297 1.00 0.00 N ATOM 120 CA THR A 11 11.038 2.123 -5.718 1.00 0.00 C ATOM 121 C THR A 11 10.409 1.777 -4.373 1.00 0.00 C ATOM 122 O THR A 11 9.447 2.415 -3.946 1.00 0.00 O ATOM 123 CB THR A 11 9.945 2.667 -6.658 1.00 0.00 C ATOM 124 OG1 THR A 11 8.870 1.726 -6.756 1.00 0.00 O ATOM 125 CG2 THR A 11 10.511 2.945 -8.042 1.00 0.00 C ATOM 0 H THR A 11 11.151 0.113 -6.299 1.00 0.00 H new ATOM 0 HA THR A 11 11.798 2.891 -5.574 1.00 0.00 H new ATOM 0 HB THR A 11 9.571 3.602 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.217 0.818 -6.628 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.721 3.328 -8.688 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.309 3.684 -7.967 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.909 2.022 -8.464 1.00 0.00 H new ATOM 133 N GLN A 12 10.960 0.765 -3.711 1.00 0.00 N ATOM 134 CA GLN A 12 10.451 0.335 -2.413 1.00 0.00 C ATOM 135 C GLN A 12 11.595 0.089 -1.435 1.00 0.00 C ATOM 136 O GLN A 12 11.662 -0.961 -0.795 1.00 0.00 O ATOM 137 CB GLN A 12 9.612 -0.935 -2.566 1.00 0.00 C ATOM 138 CG GLN A 12 8.641 -0.886 -3.734 1.00 0.00 C ATOM 139 CD GLN A 12 9.244 -1.420 -5.018 1.00 0.00 C ATOM 140 OE1 GLN A 12 9.502 -0.667 -5.957 1.00 0.00 O ATOM 141 NE2 GLN A 12 9.472 -2.727 -5.066 1.00 0.00 N ATOM 0 H GLN A 12 11.758 0.228 -4.051 1.00 0.00 H new ATOM 0 HA GLN A 12 9.822 1.131 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.279 -1.788 -2.694 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.052 -1.104 -1.646 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.752 -1.465 -3.486 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.318 0.143 -3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.243 -3.314 -4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.876 -3.144 -5.905 1.00 0.00 H new ATOM 150 N ARG A 13 12.493 1.062 -1.325 1.00 0.00 N ATOM 151 CA ARG A 13 13.635 0.950 -0.426 1.00 0.00 C ATOM 152 C ARG A 13 13.286 1.472 0.965 1.00 0.00 C ATOM 153 O ARG A 13 12.165 1.920 1.207 1.00 0.00 O ATOM 154 CB ARG A 13 14.831 1.722 -0.986 1.00 0.00 C ATOM 155 CG ARG A 13 14.585 3.217 -1.113 1.00 0.00 C ATOM 156 CD ARG A 13 15.650 3.886 -1.968 1.00 0.00 C ATOM 157 NE ARG A 13 15.648 5.338 -1.808 1.00 0.00 N ATOM 158 CZ ARG A 13 16.253 6.171 -2.647 1.00 0.00 C ATOM 159 NH1 ARG A 13 16.906 5.698 -3.700 1.00 0.00 N ATOM 160 NH2 ARG A 13 16.207 7.480 -2.433 1.00 0.00 N ATOM 0 H ARG A 13 12.452 1.937 -1.847 1.00 0.00 H new ATOM 0 HA ARG A 13 13.898 -0.105 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.694 1.558 -0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.086 1.320 -1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.603 3.389 -1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.574 3.671 -0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.630 3.493 -1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.483 3.637 -3.016 1.00 0.00 H new ATOM 0 HE ARG A 13 15.155 5.734 -1.008 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.944 4.692 -3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.370 6.340 -4.343 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.707 7.847 -1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.672 8.119 -3.078 1.00 0.00 H new ATOM 174 N TRP A 14 14.252 1.410 1.874 1.00 0.00 N ATOM 175 CA TRP A 14 14.045 1.876 3.241 1.00 0.00 C ATOM 176 C TRP A 14 13.492 3.296 3.254 1.00 0.00 C ATOM 177 O TRP A 14 13.633 4.036 2.281 1.00 0.00 O ATOM 178 CB TRP A 14 15.358 1.819 4.024 1.00 0.00 C ATOM 179 CG TRP A 14 15.931 0.438 4.124 1.00 0.00 C ATOM 180 CD1 TRP A 14 16.979 -0.068 3.409 1.00 0.00 C ATOM 181 CD2 TRP A 14 15.487 -0.614 4.987 1.00 0.00 C ATOM 182 NE1 TRP A 14 17.213 -1.371 3.776 1.00 0.00 N ATOM 183 CE2 TRP A 14 16.311 -1.730 4.742 1.00 0.00 C ATOM 184 CE3 TRP A 14 14.474 -0.722 5.943 1.00 0.00 C ATOM 185 CZ2 TRP A 14 16.152 -2.936 5.419 1.00 0.00 C ATOM 186 CZ3 TRP A 14 14.316 -1.920 6.614 1.00 0.00 C ATOM 187 CH2 TRP A 14 15.152 -3.014 6.350 1.00 0.00 C ATOM 0 H TRP A 14 15.185 1.042 1.690 1.00 0.00 H new ATOM 0 HA TRP A 14 13.317 1.219 3.717 1.00 0.00 H new ATOM 0 HB2 TRP A 14 16.087 2.473 3.545 1.00 0.00 H new ATOM 0 HB3 TRP A 14 15.191 2.209 5.028 1.00 0.00 H new ATOM 0 HD1 TRP A 14 17.541 0.476 2.665 1.00 0.00 H new ATOM 0 HE1 TRP A 14 17.941 -1.973 3.391 1.00 0.00 H new ATOM 0 HE3 TRP A 14 13.826 0.116 6.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 16.795 -3.780 5.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 13.535 -2.015 7.354 1.00 0.00 H new ATOM 0 HH2 TRP A 14 15.004 -3.936 6.892 1.00 0.00 H new ATOM 198 N ALA A 15 12.862 3.671 4.363 1.00 0.00 N ATOM 199 CA ALA A 15 12.290 5.004 4.502 1.00 0.00 C ATOM 200 C ALA A 15 12.752 5.668 5.795 1.00 0.00 C ATOM 201 O ALA A 15 12.515 5.151 6.887 1.00 0.00 O ATOM 202 CB ALA A 15 10.770 4.934 4.457 1.00 0.00 C ATOM 0 H ALA A 15 12.735 3.070 5.178 1.00 0.00 H new ATOM 0 HA ALA A 15 12.640 5.611 3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.356 5.937 4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.453 4.509 3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.410 4.306 5.272 1.00 0.00 H new ATOM 208 N GLU A 16 13.413 6.814 5.664 1.00 0.00 N ATOM 209 CA GLU A 16 13.909 7.546 6.823 1.00 0.00 C ATOM 210 C GLU A 16 12.797 7.768 7.844 1.00 0.00 C ATOM 211 O GLU A 16 11.609 7.688 7.532 1.00 0.00 O ATOM 212 CB GLU A 16 14.496 8.891 6.391 1.00 0.00 C ATOM 213 CG GLU A 16 16.014 8.897 6.315 1.00 0.00 C ATOM 214 CD GLU A 16 16.586 10.295 6.187 1.00 0.00 C ATOM 215 OE1 GLU A 16 16.127 11.045 5.300 1.00 0.00 O ATOM 216 OE2 GLU A 16 17.493 10.640 6.973 1.00 0.00 O ATOM 0 H GLU A 16 13.617 7.255 4.767 1.00 0.00 H new ATOM 0 HA GLU A 16 14.692 6.949 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.091 9.158 5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.173 9.661 7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.421 8.422 7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.334 8.298 5.462 1.00 0.00 H new ATOM 223 N PRO A 17 13.190 8.053 9.094 1.00 0.00 N ATOM 224 CA PRO A 17 12.242 8.292 10.186 1.00 0.00 C ATOM 225 C PRO A 17 11.486 9.606 10.020 1.00 0.00 C ATOM 226 O PRO A 17 11.809 10.605 10.660 1.00 0.00 O ATOM 227 CB PRO A 17 13.137 8.344 11.427 1.00 0.00 C ATOM 228 CG PRO A 17 14.473 8.758 10.914 1.00 0.00 C ATOM 229 CD PRO A 17 14.590 8.164 9.537 1.00 0.00 C ATOM 0 HA PRO A 17 11.470 7.524 10.231 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.757 9.056 12.160 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.186 7.373 11.921 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.558 9.844 10.879 1.00 0.00 H new ATOM 0 HG3 PRO A 17 15.270 8.397 11.564 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.173 8.802 8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 17 15.083 7.192 9.559 1.00 0.00 H new ATOM 237 N GLY A 18 10.476 9.596 9.155 1.00 0.00 N ATOM 238 CA GLY A 18 9.689 10.793 8.921 1.00 0.00 C ATOM 239 C GLY A 18 8.957 10.755 7.594 1.00 0.00 C ATOM 240 O GLY A 18 7.948 11.436 7.415 1.00 0.00 O ATOM 0 H GLY A 18 10.189 8.781 8.613 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.966 10.912 9.728 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.343 11.665 8.947 1.00 0.00 H new ATOM 244 N GLU A 19 9.468 9.957 6.661 1.00 0.00 N ATOM 245 CA GLU A 19 8.857 9.836 5.342 1.00 0.00 C ATOM 246 C GLU A 19 7.748 8.788 5.351 1.00 0.00 C ATOM 247 O GLU A 19 7.682 7.924 6.226 1.00 0.00 O ATOM 248 CB GLU A 19 9.913 9.468 4.298 1.00 0.00 C ATOM 249 CG GLU A 19 10.603 10.672 3.680 1.00 0.00 C ATOM 250 CD GLU A 19 9.624 11.655 3.068 1.00 0.00 C ATOM 251 OE1 GLU A 19 9.162 12.561 3.793 1.00 0.00 O ATOM 252 OE2 GLU A 19 9.321 11.519 1.864 1.00 0.00 O ATOM 0 H GLU A 19 10.302 9.385 6.794 1.00 0.00 H new ATOM 0 HA GLU A 19 8.420 10.800 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.664 8.828 4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.442 8.884 3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.192 11.180 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.299 10.333 2.913 1.00 0.00 H new ATOM 259 N PRO A 20 6.854 8.864 4.354 1.00 0.00 N ATOM 260 CA PRO A 20 5.731 7.931 4.224 1.00 0.00 C ATOM 261 C PRO A 20 6.186 6.527 3.840 1.00 0.00 C ATOM 262 O PRO A 20 7.212 6.356 3.181 1.00 0.00 O ATOM 263 CB PRO A 20 4.887 8.545 3.104 1.00 0.00 C ATOM 264 CG PRO A 20 5.851 9.349 2.301 1.00 0.00 C ATOM 265 CD PRO A 20 6.871 9.868 3.276 1.00 0.00 C ATOM 0 HA PRO A 20 5.192 7.808 5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.413 7.774 2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.089 9.169 3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.323 8.738 1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.346 10.169 1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.857 9.951 2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.606 10.859 3.645 1.00 0.00 H new ATOM 273 N ILE A 21 5.416 5.527 4.254 1.00 0.00 N ATOM 274 CA ILE A 21 5.739 4.138 3.951 1.00 0.00 C ATOM 275 C ILE A 21 4.500 3.369 3.508 1.00 0.00 C ATOM 276 O ILE A 21 3.399 3.602 4.008 1.00 0.00 O ATOM 277 CB ILE A 21 6.364 3.428 5.166 1.00 0.00 C ATOM 278 CG1 ILE A 21 7.644 4.143 5.601 1.00 0.00 C ATOM 279 CG2 ILE A 21 6.650 1.970 4.838 1.00 0.00 C ATOM 280 CD1 ILE A 21 8.026 3.879 7.040 1.00 0.00 C ATOM 0 H ILE A 21 4.564 5.652 4.800 1.00 0.00 H new ATOM 0 HA ILE A 21 6.464 4.153 3.137 1.00 0.00 H new ATOM 0 HB ILE A 21 5.654 3.462 5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.463 3.830 4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.517 5.216 5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.092 1.482 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.720 1.467 4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.344 1.915 3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.943 4.418 7.278 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.225 4.218 7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.186 2.810 7.184 1.00 0.00 H new ATOM 292 N CYS A 22 4.686 2.449 2.567 1.00 0.00 N ATOM 293 CA CYS A 22 3.584 1.643 2.056 1.00 0.00 C ATOM 294 C CYS A 22 2.799 1.008 3.199 1.00 0.00 C ATOM 295 O CYS A 22 3.377 0.550 4.185 1.00 0.00 O ATOM 296 CB CYS A 22 4.112 0.555 1.118 1.00 0.00 C ATOM 297 SG CYS A 22 2.986 0.146 -0.254 1.00 0.00 S ATOM 0 H CYS A 22 5.590 2.243 2.143 1.00 0.00 H new ATOM 0 HA CYS A 22 2.914 2.299 1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.068 0.878 0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.304 -0.348 1.698 1.00 0.00 H new ATOM 302 N VAL A 23 1.477 0.983 3.061 1.00 0.00 N ATOM 303 CA VAL A 23 0.612 0.403 4.081 1.00 0.00 C ATOM 304 C VAL A 23 0.323 -1.065 3.786 1.00 0.00 C ATOM 305 O VAL A 23 -0.374 -1.737 4.547 1.00 0.00 O ATOM 306 CB VAL A 23 -0.722 1.166 4.186 1.00 0.00 C ATOM 307 CG1 VAL A 23 -0.502 2.544 4.790 1.00 0.00 C ATOM 308 CG2 VAL A 23 -1.384 1.272 2.820 1.00 0.00 C ATOM 0 H VAL A 23 0.982 1.358 2.252 1.00 0.00 H new ATOM 0 HA VAL A 23 1.143 0.483 5.029 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.389 0.609 4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.455 3.069 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.075 2.440 5.787 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.182 3.113 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.325 1.814 2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.724 1.806 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.578 0.272 2.431 1.00 0.00 H new ATOM 318 N VAL A 24 0.865 -1.558 2.677 1.00 0.00 N ATOM 319 CA VAL A 24 0.667 -2.948 2.282 1.00 0.00 C ATOM 320 C VAL A 24 1.999 -3.677 2.152 1.00 0.00 C ATOM 321 O VAL A 24 2.085 -4.884 2.381 1.00 0.00 O ATOM 322 CB VAL A 24 -0.094 -3.049 0.947 1.00 0.00 C ATOM 323 CG1 VAL A 24 -1.531 -2.580 1.114 1.00 0.00 C ATOM 324 CG2 VAL A 24 0.615 -2.245 -0.132 1.00 0.00 C ATOM 0 H VAL A 24 1.444 -1.016 2.036 1.00 0.00 H new ATOM 0 HA VAL A 24 0.074 -3.419 3.066 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.112 -4.094 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.053 -2.659 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.033 -3.202 1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.539 -1.542 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.064 -2.328 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.666 -1.198 0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.625 -2.632 -0.270 1.00 0.00 H new ATOM 334 N CYS A 25 3.039 -2.936 1.782 1.00 0.00 N ATOM 335 CA CYS A 25 4.369 -3.511 1.621 1.00 0.00 C ATOM 336 C CYS A 25 5.188 -3.355 2.900 1.00 0.00 C ATOM 337 O CYS A 25 5.326 -4.296 3.680 1.00 0.00 O ATOM 338 CB CYS A 25 5.097 -2.845 0.452 1.00 0.00 C ATOM 339 SG CYS A 25 4.313 -3.124 -1.168 1.00 0.00 S ATOM 0 H CYS A 25 2.986 -1.936 1.588 1.00 0.00 H new ATOM 0 HA CYS A 25 4.255 -4.574 1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.153 -1.772 0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.121 -3.216 0.417 1.00 0.00 H new ATOM 344 N GLY A 26 5.729 -2.158 3.107 1.00 0.00 N ATOM 345 CA GLY A 26 6.527 -1.901 4.292 1.00 0.00 C ATOM 346 C GLY A 26 7.930 -1.437 3.956 1.00 0.00 C ATOM 347 O GLY A 26 8.911 -1.999 4.445 1.00 0.00 O ATOM 0 H GLY A 26 5.629 -1.363 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.033 -1.144 4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.582 -2.809 4.893 1.00 0.00 H new ATOM 351 N ARG A 27 8.028 -0.410 3.118 1.00 0.00 N ATOM 352 CA ARG A 27 9.322 0.127 2.715 1.00 0.00 C ATOM 353 C ARG A 27 9.276 1.650 2.632 1.00 0.00 C ATOM 354 O ARG A 27 9.867 2.345 3.459 1.00 0.00 O ATOM 355 CB ARG A 27 9.742 -0.456 1.365 1.00 0.00 C ATOM 356 CG ARG A 27 9.752 -1.976 1.334 1.00 0.00 C ATOM 357 CD ARG A 27 10.968 -2.539 2.054 1.00 0.00 C ATOM 358 NE ARG A 27 10.625 -3.684 2.893 1.00 0.00 N ATOM 359 CZ ARG A 27 10.368 -4.895 2.413 1.00 0.00 C ATOM 360 NH1 ARG A 27 10.415 -5.119 1.107 1.00 0.00 N ATOM 361 NH2 ARG A 27 10.064 -5.887 3.241 1.00 0.00 N ATOM 0 H ARG A 27 7.226 0.067 2.705 1.00 0.00 H new ATOM 0 HA ARG A 27 10.056 -0.157 3.469 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.064 -0.090 0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.737 -0.089 1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.843 -2.357 1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.748 -2.320 0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.717 -2.838 1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.418 -1.760 2.670 1.00 0.00 H new ATOM 0 HE ARG A 27 10.580 -3.546 3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.649 -4.360 0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.217 -6.051 0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.028 -5.719 4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.867 -6.817 2.872 1.00 0.00 H new ATOM 375 N TYR A 28 8.573 2.162 1.628 1.00 0.00 N ATOM 376 CA TYR A 28 8.452 3.602 1.434 1.00 0.00 C ATOM 377 C TYR A 28 7.252 3.935 0.554 1.00 0.00 C ATOM 378 O TYR A 28 6.895 3.173 -0.344 1.00 0.00 O ATOM 379 CB TYR A 28 9.730 4.162 0.807 1.00 0.00 C ATOM 380 CG TYR A 28 9.595 5.590 0.331 1.00 0.00 C ATOM 381 CD1 TYR A 28 9.622 6.648 1.231 1.00 0.00 C ATOM 382 CD2 TYR A 28 9.439 5.883 -1.018 1.00 0.00 C ATOM 383 CE1 TYR A 28 9.499 7.956 0.802 1.00 0.00 C ATOM 384 CE2 TYR A 28 9.317 7.187 -1.457 1.00 0.00 C ATOM 385 CZ TYR A 28 9.347 8.220 -0.543 1.00 0.00 C ATOM 386 OH TYR A 28 9.223 9.520 -0.977 1.00 0.00 O ATOM 0 H TYR A 28 8.078 1.601 0.935 1.00 0.00 H new ATOM 0 HA TYR A 28 8.302 4.063 2.410 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.538 4.106 1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.017 3.533 -0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.741 6.445 2.285 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.413 5.077 -1.736 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.522 8.766 1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.199 7.397 -2.510 1.00 0.00 H new ATOM 0 HH TYR A 28 9.125 9.531 -1.952 1.00 0.00 H new ATOM 396 N GLY A 29 6.631 5.081 0.819 1.00 0.00 N ATOM 397 CA GLY A 29 5.478 5.497 0.044 1.00 0.00 C ATOM 398 C GLY A 29 5.823 6.552 -0.988 1.00 0.00 C ATOM 399 O GLY A 29 5.814 7.746 -0.690 1.00 0.00 O ATOM 0 H GLY A 29 6.907 5.728 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.049 4.629 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.714 5.887 0.716 1.00 0.00 H new ATOM 403 N GLU A 30 6.128 6.111 -2.204 1.00 0.00 N ATOM 404 CA GLU A 30 6.480 7.028 -3.282 1.00 0.00 C ATOM 405 C GLU A 30 5.264 7.833 -3.731 1.00 0.00 C ATOM 406 O GLU A 30 5.390 8.803 -4.479 1.00 0.00 O ATOM 407 CB GLU A 30 7.061 6.256 -4.469 1.00 0.00 C ATOM 408 CG GLU A 30 8.252 6.941 -5.118 1.00 0.00 C ATOM 409 CD GLU A 30 8.052 8.437 -5.270 1.00 0.00 C ATOM 410 OE1 GLU A 30 7.335 8.848 -6.206 1.00 0.00 O ATOM 411 OE2 GLU A 30 8.614 9.196 -4.453 1.00 0.00 O ATOM 0 H GLU A 30 6.139 5.126 -2.467 1.00 0.00 H new ATOM 0 HA GLU A 30 7.233 7.720 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.362 5.264 -4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.281 6.116 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.144 6.756 -4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.430 6.500 -6.099 1.00 0.00 H new ATOM 418 N TYR A 31 4.088 7.423 -3.269 1.00 0.00 N ATOM 419 CA TYR A 31 2.848 8.104 -3.625 1.00 0.00 C ATOM 420 C TYR A 31 1.904 8.174 -2.429 1.00 0.00 C ATOM 421 O TYR A 31 1.895 7.285 -1.577 1.00 0.00 O ATOM 422 CB TYR A 31 2.163 7.385 -4.788 1.00 0.00 C ATOM 423 CG TYR A 31 3.070 7.156 -5.976 1.00 0.00 C ATOM 424 CD1 TYR A 31 3.340 8.179 -6.877 1.00 0.00 C ATOM 425 CD2 TYR A 31 3.656 5.916 -6.199 1.00 0.00 C ATOM 426 CE1 TYR A 31 4.168 7.974 -7.964 1.00 0.00 C ATOM 427 CE2 TYR A 31 4.486 5.702 -7.282 1.00 0.00 C ATOM 428 CZ TYR A 31 4.738 6.734 -8.162 1.00 0.00 C ATOM 429 OH TYR A 31 5.563 6.524 -9.243 1.00 0.00 O ATOM 0 H TYR A 31 3.967 6.623 -2.648 1.00 0.00 H new ATOM 0 HA TYR A 31 3.095 9.121 -3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.786 6.424 -4.439 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.300 7.969 -5.108 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.895 9.151 -6.725 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.459 5.105 -5.513 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.368 8.780 -8.654 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.935 4.732 -7.439 1.00 0.00 H new ATOM 0 HH TYR A 31 5.882 5.598 -9.236 1.00 0.00 H new ATOM 439 N ILE A 32 1.109 9.238 -2.373 1.00 0.00 N ATOM 440 CA ILE A 32 0.159 9.424 -1.283 1.00 0.00 C ATOM 441 C ILE A 32 -1.238 9.721 -1.817 1.00 0.00 C ATOM 442 O ILE A 32 -1.418 10.601 -2.660 1.00 0.00 O ATOM 443 CB ILE A 32 0.592 10.568 -0.348 1.00 0.00 C ATOM 444 CG1 ILE A 32 1.913 10.220 0.342 1.00 0.00 C ATOM 445 CG2 ILE A 32 -0.491 10.850 0.682 1.00 0.00 C ATOM 446 CD1 ILE A 32 3.129 10.774 -0.366 1.00 0.00 C ATOM 0 H ILE A 32 1.104 9.983 -3.069 1.00 0.00 H new ATOM 0 HA ILE A 32 0.140 8.492 -0.718 1.00 0.00 H new ATOM 0 HB ILE A 32 0.741 11.468 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.892 10.602 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.004 9.136 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.169 11.661 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.411 11.137 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.670 9.954 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.029 10.488 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.175 10.373 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.061 11.861 -0.409 1.00 0.00 H new ATOM 458 N CYS A 33 -2.224 8.983 -1.321 1.00 0.00 N ATOM 459 CA CYS A 33 -3.607 9.167 -1.747 1.00 0.00 C ATOM 460 C CYS A 33 -4.162 10.492 -1.234 1.00 0.00 C ATOM 461 O CYS A 33 -3.449 11.273 -0.604 1.00 0.00 O ATOM 462 CB CYS A 33 -4.475 8.010 -1.249 1.00 0.00 C ATOM 463 SG CYS A 33 -5.646 7.385 -2.477 1.00 0.00 S ATOM 0 H CYS A 33 -2.092 8.251 -0.623 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.626 9.183 -2.837 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.826 7.193 -0.932 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.028 8.337 -0.369 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.697 6.088 -2.407 1.00 0.00 H new ATOM 469 N ASP A 34 -5.438 10.739 -1.509 1.00 0.00 N ATOM 470 CA ASP A 34 -6.089 11.970 -1.076 1.00 0.00 C ATOM 471 C ASP A 34 -7.130 11.684 0.002 1.00 0.00 C ATOM 472 O ASP A 34 -7.090 12.261 1.089 1.00 0.00 O ATOM 473 CB ASP A 34 -6.748 12.670 -2.266 1.00 0.00 C ATOM 474 CG ASP A 34 -7.356 14.006 -1.888 1.00 0.00 C ATOM 475 OD1 ASP A 34 -6.598 14.993 -1.778 1.00 0.00 O ATOM 476 OD2 ASP A 34 -8.589 14.065 -1.703 1.00 0.00 O ATOM 0 H ASP A 34 -6.042 10.103 -2.030 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.327 12.626 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.007 12.821 -3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.524 12.025 -2.679 1.00 0.00 H new ATOM 481 N LYS A 35 -8.064 10.791 -0.308 1.00 0.00 N ATOM 482 CA LYS A 35 -9.117 10.427 0.633 1.00 0.00 C ATOM 483 C LYS A 35 -8.528 10.036 1.985 1.00 0.00 C ATOM 484 O LYS A 35 -8.604 10.796 2.951 1.00 0.00 O ATOM 485 CB LYS A 35 -9.951 9.272 0.075 1.00 0.00 C ATOM 486 CG LYS A 35 -10.774 9.649 -1.145 1.00 0.00 C ATOM 487 CD LYS A 35 -11.861 8.625 -1.424 1.00 0.00 C ATOM 488 CE LYS A 35 -12.727 9.038 -2.604 1.00 0.00 C ATOM 489 NZ LYS A 35 -12.041 8.800 -3.904 1.00 0.00 N ATOM 0 H LYS A 35 -8.113 10.306 -1.204 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.760 11.296 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.287 8.448 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.619 8.908 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.227 10.628 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.121 9.733 -2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.406 7.656 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.485 8.505 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.664 8.481 -2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.982 10.094 -2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.663 9.094 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.160 9.351 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.820 7.788 -4.000 1.00 0.00 H new ATOM 503 N THR A 36 -7.939 8.845 2.046 1.00 0.00 N ATOM 504 CA THR A 36 -7.336 8.354 3.279 1.00 0.00 C ATOM 505 C THR A 36 -5.955 8.960 3.495 1.00 0.00 C ATOM 506 O THR A 36 -5.392 8.873 4.587 1.00 0.00 O ATOM 507 CB THR A 36 -7.215 6.818 3.272 1.00 0.00 C ATOM 508 OG1 THR A 36 -6.147 6.415 2.407 1.00 0.00 O ATOM 509 CG2 THR A 36 -8.516 6.175 2.813 1.00 0.00 C ATOM 0 H THR A 36 -7.867 8.203 1.256 1.00 0.00 H new ATOM 0 HA THR A 36 -7.993 8.656 4.094 1.00 0.00 H new ATOM 0 HB THR A 36 -7.003 6.487 4.289 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.175 5.443 2.283 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.407 5.090 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.321 6.460 3.490 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.753 6.513 1.804 1.00 0.00 H new ATOM 517 N ASP A 37 -5.413 9.575 2.450 1.00 0.00 N ATOM 518 CA ASP A 37 -4.097 10.198 2.526 1.00 0.00 C ATOM 519 C ASP A 37 -3.030 9.171 2.892 1.00 0.00 C ATOM 520 O ASP A 37 -1.951 9.525 3.367 1.00 0.00 O ATOM 521 CB ASP A 37 -4.105 11.331 3.553 1.00 0.00 C ATOM 522 CG ASP A 37 -4.591 12.641 2.965 1.00 0.00 C ATOM 523 OD1 ASP A 37 -4.201 12.960 1.822 1.00 0.00 O ATOM 524 OD2 ASP A 37 -5.362 13.349 3.648 1.00 0.00 O ATOM 0 H ASP A 37 -5.865 9.656 1.539 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.859 10.609 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.744 11.053 4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.099 11.465 3.950 1.00 0.00 H new ATOM 529 N GLU A 38 -3.340 7.897 2.669 1.00 0.00 N ATOM 530 CA GLU A 38 -2.408 6.819 2.978 1.00 0.00 C ATOM 531 C GLU A 38 -1.122 6.964 2.170 1.00 0.00 C ATOM 532 O GLU A 38 -0.934 7.947 1.453 1.00 0.00 O ATOM 533 CB GLU A 38 -3.052 5.461 2.693 1.00 0.00 C ATOM 534 CG GLU A 38 -3.289 4.626 3.940 1.00 0.00 C ATOM 535 CD GLU A 38 -4.422 5.160 4.794 1.00 0.00 C ATOM 536 OE1 GLU A 38 -4.727 6.366 4.688 1.00 0.00 O ATOM 537 OE2 GLU A 38 -5.004 4.371 5.567 1.00 0.00 O ATOM 0 H GLU A 38 -4.229 7.587 2.276 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.160 6.880 4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.004 5.619 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.414 4.903 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.512 3.600 3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.375 4.598 4.533 1.00 0.00 H new ATOM 544 N ASP A 39 -0.239 5.979 2.292 1.00 0.00 N ATOM 545 CA ASP A 39 1.029 5.995 1.573 1.00 0.00 C ATOM 546 C ASP A 39 1.264 4.670 0.854 1.00 0.00 C ATOM 547 O ASP A 39 1.044 3.598 1.419 1.00 0.00 O ATOM 548 CB ASP A 39 2.183 6.278 2.537 1.00 0.00 C ATOM 549 CG ASP A 39 1.969 7.547 3.339 1.00 0.00 C ATOM 550 OD1 ASP A 39 1.376 8.501 2.793 1.00 0.00 O ATOM 551 OD2 ASP A 39 2.395 7.586 4.512 1.00 0.00 O ATOM 0 H ASP A 39 -0.378 5.159 2.882 1.00 0.00 H new ATOM 0 HA ASP A 39 0.985 6.789 0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.298 5.436 3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.112 6.360 1.973 1.00 0.00 H new ATOM 556 N VAL A 40 1.711 4.751 -0.395 1.00 0.00 N ATOM 557 CA VAL A 40 1.975 3.559 -1.191 1.00 0.00 C ATOM 558 C VAL A 40 3.200 3.751 -2.079 1.00 0.00 C ATOM 559 O VAL A 40 3.665 4.874 -2.278 1.00 0.00 O ATOM 560 CB VAL A 40 0.767 3.194 -2.074 1.00 0.00 C ATOM 561 CG1 VAL A 40 -0.331 2.554 -1.238 1.00 0.00 C ATOM 562 CG2 VAL A 40 0.247 4.425 -2.800 1.00 0.00 C ATOM 0 H VAL A 40 1.898 5.630 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 40 2.162 2.746 -0.490 1.00 0.00 H new ATOM 0 HB VAL A 40 1.090 2.470 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.176 2.303 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.051 1.647 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.655 3.253 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.606 4.149 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.061 5.174 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.035 4.835 -3.431 1.00 0.00 H new ATOM 572 N CYS A 41 3.717 2.649 -2.611 1.00 0.00 N ATOM 573 CA CYS A 41 4.888 2.695 -3.478 1.00 0.00 C ATOM 574 C CYS A 41 4.495 2.467 -4.935 1.00 0.00 C ATOM 575 O CYS A 41 5.061 3.075 -5.844 1.00 0.00 O ATOM 576 CB CYS A 41 5.911 1.643 -3.044 1.00 0.00 C ATOM 577 SG CYS A 41 5.357 -0.076 -3.280 1.00 0.00 S ATOM 0 H CYS A 41 3.343 1.713 -2.457 1.00 0.00 H new ATOM 0 HA CYS A 41 5.335 3.685 -3.391 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.833 1.796 -3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.148 1.795 -1.991 1.00 0.00 H new ATOM 582 N SER A 42 3.522 1.587 -5.149 1.00 0.00 N ATOM 583 CA SER A 42 3.055 1.276 -6.495 1.00 0.00 C ATOM 584 C SER A 42 1.559 1.545 -6.627 1.00 0.00 C ATOM 585 O SER A 42 0.822 1.522 -5.640 1.00 0.00 O ATOM 586 CB SER A 42 3.354 -0.185 -6.836 1.00 0.00 C ATOM 587 OG SER A 42 4.706 -0.507 -6.560 1.00 0.00 O ATOM 0 H SER A 42 3.042 1.077 -4.408 1.00 0.00 H new ATOM 0 HA SER A 42 3.585 1.921 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.697 -0.838 -6.261 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.141 -0.367 -7.890 1.00 0.00 H new ATOM 0 HG SER A 42 4.856 -0.485 -5.592 1.00 0.00 H new ATOM 593 N LEU A 43 1.116 1.801 -7.853 1.00 0.00 N ATOM 594 CA LEU A 43 -0.292 2.075 -8.116 1.00 0.00 C ATOM 595 C LEU A 43 -1.168 0.913 -7.658 1.00 0.00 C ATOM 596 O LEU A 43 -2.302 1.112 -7.224 1.00 0.00 O ATOM 597 CB LEU A 43 -0.511 2.336 -9.608 1.00 0.00 C ATOM 598 CG LEU A 43 0.162 3.586 -10.176 1.00 0.00 C ATOM 599 CD1 LEU A 43 -0.307 3.845 -11.599 1.00 0.00 C ATOM 600 CD2 LEU A 43 -0.120 4.792 -9.292 1.00 0.00 C ATOM 0 H LEU A 43 1.712 1.825 -8.681 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.575 2.964 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.153 1.470 -10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.583 2.410 -9.790 1.00 0.00 H new ATOM 0 HG LEU A 43 1.239 3.418 -10.195 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.183 4.738 -11.987 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.053 2.991 -12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.387 3.992 -11.605 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.367 5.672 -9.712 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.195 4.962 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.266 4.607 -8.290 1.00 0.00 H new ATOM 612 N GLU A 44 -0.633 -0.300 -7.757 1.00 0.00 N ATOM 613 CA GLU A 44 -1.366 -1.493 -7.352 1.00 0.00 C ATOM 614 C GLU A 44 -1.643 -1.477 -5.851 1.00 0.00 C ATOM 615 O GLU A 44 -2.671 -1.977 -5.393 1.00 0.00 O ATOM 616 CB GLU A 44 -0.580 -2.753 -7.723 1.00 0.00 C ATOM 617 CG GLU A 44 -1.264 -4.043 -7.303 1.00 0.00 C ATOM 618 CD GLU A 44 -0.584 -5.274 -7.869 1.00 0.00 C ATOM 619 OE1 GLU A 44 0.662 -5.341 -7.816 1.00 0.00 O ATOM 620 OE2 GLU A 44 -1.297 -6.171 -8.365 1.00 0.00 O ATOM 0 H GLU A 44 0.305 -0.482 -8.114 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.319 -1.500 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.424 -2.769 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.405 -2.706 -7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.275 -4.106 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.303 -4.023 -7.632 1.00 0.00 H new ATOM 627 N CYS A 45 -0.718 -0.901 -5.091 1.00 0.00 N ATOM 628 CA CYS A 45 -0.860 -0.820 -3.642 1.00 0.00 C ATOM 629 C CYS A 45 -1.980 0.142 -3.258 1.00 0.00 C ATOM 630 O CYS A 45 -2.687 -0.071 -2.272 1.00 0.00 O ATOM 631 CB CYS A 45 0.456 -0.369 -3.004 1.00 0.00 C ATOM 632 SG CYS A 45 1.855 -1.493 -3.312 1.00 0.00 S ATOM 0 H CYS A 45 0.139 -0.483 -5.455 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.115 -1.813 -3.271 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.710 0.622 -3.382 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.311 -0.273 -1.928 1.00 0.00 H new ATOM 637 N LYS A 46 -2.138 1.201 -4.044 1.00 0.00 N ATOM 638 CA LYS A 46 -3.173 2.196 -3.789 1.00 0.00 C ATOM 639 C LYS A 46 -4.548 1.542 -3.704 1.00 0.00 C ATOM 640 O LYS A 46 -5.182 1.542 -2.649 1.00 0.00 O ATOM 641 CB LYS A 46 -3.169 3.259 -4.890 1.00 0.00 C ATOM 642 CG LYS A 46 -4.396 4.154 -4.876 1.00 0.00 C ATOM 643 CD LYS A 46 -4.101 5.516 -5.481 1.00 0.00 C ATOM 644 CE LYS A 46 -5.126 5.890 -6.540 1.00 0.00 C ATOM 645 NZ LYS A 46 -4.506 6.621 -7.680 1.00 0.00 N ATOM 0 H LYS A 46 -1.562 1.393 -4.864 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.957 2.671 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.278 3.877 -4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.101 2.766 -5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.203 3.675 -5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.745 4.278 -3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.097 6.271 -4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.105 5.511 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.612 4.987 -6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.902 6.509 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.238 6.858 -8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.064 7.496 -7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.783 6.021 -8.125 1.00 0.00 H new ATOM 659 N ALA A 47 -5.002 0.983 -4.821 1.00 0.00 N ATOM 660 CA ALA A 47 -6.300 0.322 -4.871 1.00 0.00 C ATOM 661 C ALA A 47 -6.345 -0.873 -3.924 1.00 0.00 C ATOM 662 O ALA A 47 -7.402 -1.222 -3.398 1.00 0.00 O ATOM 663 CB ALA A 47 -6.614 -0.118 -6.294 1.00 0.00 C ATOM 0 H ALA A 47 -4.490 0.975 -5.703 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.057 1.037 -4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.586 -0.610 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.633 0.753 -6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.848 -0.813 -6.637 1.00 0.00 H new ATOM 669 N LYS A 48 -5.191 -1.496 -3.711 1.00 0.00 N ATOM 670 CA LYS A 48 -5.097 -2.652 -2.827 1.00 0.00 C ATOM 671 C LYS A 48 -5.517 -2.286 -1.407 1.00 0.00 C ATOM 672 O LYS A 48 -6.020 -3.127 -0.661 1.00 0.00 O ATOM 673 CB LYS A 48 -3.669 -3.202 -2.822 1.00 0.00 C ATOM 674 CG LYS A 48 -3.484 -4.421 -3.708 1.00 0.00 C ATOM 675 CD LYS A 48 -2.356 -5.308 -3.207 1.00 0.00 C ATOM 676 CE LYS A 48 -2.822 -6.218 -2.080 1.00 0.00 C ATOM 677 NZ LYS A 48 -2.346 -7.617 -2.265 1.00 0.00 N ATOM 0 H LYS A 48 -4.307 -1.220 -4.139 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.774 -3.420 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.986 -2.418 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.392 -3.461 -1.800 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.411 -4.993 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.271 -4.102 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.974 -5.912 -4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.531 -4.687 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.457 -5.833 -1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.911 -6.208 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.684 -8.206 -1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.715 -7.993 -3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.306 -7.630 -2.286 1.00 0.00 H new ATOM 691 N HIS A 49 -5.309 -1.025 -1.039 1.00 0.00 N ATOM 692 CA HIS A 49 -5.669 -0.548 0.291 1.00 0.00 C ATOM 693 C HIS A 49 -7.066 0.065 0.289 1.00 0.00 C ATOM 694 O HIS A 49 -7.835 -0.114 1.234 1.00 0.00 O ATOM 695 CB HIS A 49 -4.649 0.481 0.780 1.00 0.00 C ATOM 696 CG HIS A 49 -5.076 1.206 2.018 1.00 0.00 C ATOM 697 ND1 HIS A 49 -5.009 0.649 3.278 1.00 0.00 N ATOM 698 CD2 HIS A 49 -5.575 2.453 2.186 1.00 0.00 C ATOM 699 CE1 HIS A 49 -5.452 1.521 4.167 1.00 0.00 C ATOM 700 NE2 HIS A 49 -5.801 2.624 3.530 1.00 0.00 N ATOM 0 H HIS A 49 -4.893 -0.316 -1.643 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.667 -1.402 0.969 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.701 -0.022 0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.469 1.207 -0.013 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.761 3.179 1.408 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.517 1.359 5.233 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -6.177 3.466 3.965 1.00 0.00 H new ATOM 708 N LEU A 50 -7.387 0.789 -0.777 1.00 0.00 N ATOM 709 CA LEU A 50 -8.692 1.430 -0.902 1.00 0.00 C ATOM 710 C LEU A 50 -9.812 0.396 -0.868 1.00 0.00 C ATOM 711 O LEU A 50 -10.733 0.489 -0.056 1.00 0.00 O ATOM 712 CB LEU A 50 -8.765 2.235 -2.201 1.00 0.00 C ATOM 713 CG LEU A 50 -7.842 3.451 -2.289 1.00 0.00 C ATOM 714 CD1 LEU A 50 -8.099 4.224 -3.573 1.00 0.00 C ATOM 715 CD2 LEU A 50 -8.028 4.351 -1.076 1.00 0.00 C ATOM 0 H LEU A 50 -6.762 0.947 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.820 2.105 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.535 1.568 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.792 2.573 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.810 3.100 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.433 5.086 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.914 3.577 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.134 4.564 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.363 5.211 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.062 4.694 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.793 3.793 -0.170 1.00 0.00 H new ATOM 727 N LEU A 51 -9.726 -0.591 -1.754 1.00 0.00 N ATOM 728 CA LEU A 51 -10.732 -1.645 -1.824 1.00 0.00 C ATOM 729 C LEU A 51 -10.748 -2.469 -0.540 1.00 0.00 C ATOM 730 O LEU A 51 -11.694 -3.212 -0.281 1.00 0.00 O ATOM 731 CB LEU A 51 -10.462 -2.555 -3.024 1.00 0.00 C ATOM 732 CG LEU A 51 -9.808 -3.902 -2.711 1.00 0.00 C ATOM 733 CD1 LEU A 51 -9.756 -4.772 -3.957 1.00 0.00 C ATOM 734 CD2 LEU A 51 -8.411 -3.697 -2.143 1.00 0.00 C ATOM 0 H LEU A 51 -8.971 -0.683 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.708 -1.175 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.408 -2.742 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.824 -2.018 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.412 -4.412 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.288 -5.726 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.768 -4.947 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.175 -4.268 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.961 -4.666 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.797 -3.166 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.474 -3.112 -1.225 1.00 0.00 H new ATOM 746 N GLN A 52 -9.696 -2.329 0.259 1.00 0.00 N ATOM 747 CA GLN A 52 -9.591 -3.059 1.517 1.00 0.00 C ATOM 748 C GLN A 52 -10.189 -2.254 2.666 1.00 0.00 C ATOM 749 O GLN A 52 -10.608 -2.815 3.679 1.00 0.00 O ATOM 750 CB GLN A 52 -8.128 -3.391 1.818 1.00 0.00 C ATOM 751 CG GLN A 52 -7.694 -4.753 1.301 1.00 0.00 C ATOM 752 CD GLN A 52 -7.697 -5.815 2.382 1.00 0.00 C ATOM 753 OE1 GLN A 52 -8.704 -6.490 2.602 1.00 0.00 O ATOM 754 NE2 GLN A 52 -6.569 -5.971 3.064 1.00 0.00 N ATOM 0 H GLN A 52 -8.905 -1.717 0.058 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.154 -3.987 1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.492 -2.624 1.376 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.970 -3.354 2.896 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.359 -5.060 0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.693 -4.674 0.877 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.758 -5.390 2.849 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.513 -6.672 3.803 1.00 0.00 H new ATOM 763 N VAL A 53 -10.225 -0.935 2.502 1.00 0.00 N ATOM 764 CA VAL A 53 -10.773 -0.053 3.525 1.00 0.00 C ATOM 765 C VAL A 53 -12.294 0.004 3.445 1.00 0.00 C ATOM 766 O VAL A 53 -12.968 0.309 4.429 1.00 0.00 O ATOM 767 CB VAL A 53 -10.209 1.375 3.394 1.00 0.00 C ATOM 768 CG1 VAL A 53 -10.861 2.301 4.409 1.00 0.00 C ATOM 769 CG2 VAL A 53 -8.697 1.368 3.561 1.00 0.00 C ATOM 0 H VAL A 53 -9.881 -0.454 1.671 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.479 -0.466 4.490 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.440 1.748 2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.450 3.305 4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.937 2.329 4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.663 1.934 5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.316 2.385 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.441 0.976 4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.249 0.739 2.792 1.00 0.00 H new ATOM 779 N LYS A 54 -12.831 -0.291 2.266 1.00 0.00 N ATOM 780 CA LYS A 54 -14.273 -0.276 2.055 1.00 0.00 C ATOM 781 C LYS A 54 -14.957 -1.347 2.898 1.00 0.00 C ATOM 782 O LYS A 54 -16.131 -1.221 3.244 1.00 0.00 O ATOM 783 CB LYS A 54 -14.596 -0.494 0.575 1.00 0.00 C ATOM 784 CG LYS A 54 -14.253 0.697 -0.304 1.00 0.00 C ATOM 785 CD LYS A 54 -15.213 1.853 -0.077 1.00 0.00 C ATOM 786 CE LYS A 54 -16.589 1.554 -0.651 1.00 0.00 C ATOM 787 NZ LYS A 54 -17.516 2.710 -0.499 1.00 0.00 N ATOM 0 H LYS A 54 -12.288 -0.544 1.441 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.649 0.700 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.051 -1.368 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.658 -0.717 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.234 1.023 -0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.284 0.398 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.298 2.052 0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.813 2.756 -0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.495 1.300 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.010 0.682 -0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.443 2.467 -0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -17.626 2.936 0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.127 3.535 -0.998 1.00 0.00 H new ATOM 801 N GLU A 55 -14.215 -2.400 3.227 1.00 0.00 N ATOM 802 CA GLU A 55 -14.751 -3.492 4.030 1.00 0.00 C ATOM 803 C GLU A 55 -15.261 -2.979 5.374 1.00 0.00 C ATOM 804 O GLU A 55 -16.130 -3.590 5.996 1.00 0.00 O ATOM 805 CB GLU A 55 -13.682 -4.564 4.253 1.00 0.00 C ATOM 806 CG GLU A 55 -12.623 -4.166 5.267 1.00 0.00 C ATOM 807 CD GLU A 55 -12.859 -4.786 6.630 1.00 0.00 C ATOM 808 OE1 GLU A 55 -12.551 -5.985 6.797 1.00 0.00 O ATOM 809 OE2 GLU A 55 -13.351 -4.073 7.530 1.00 0.00 O ATOM 0 H GLU A 55 -13.241 -2.520 2.949 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.588 -3.932 3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.165 -5.483 4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.197 -4.785 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.642 -4.468 4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.607 -3.080 5.363 1.00 0.00 H new ATOM 816 N LYS A 56 -14.713 -1.852 5.817 1.00 0.00 N ATOM 817 CA LYS A 56 -15.111 -1.255 7.086 1.00 0.00 C ATOM 818 C LYS A 56 -16.626 -1.094 7.161 1.00 0.00 C ATOM 819 O LYS A 56 -17.212 -1.148 8.241 1.00 0.00 O ATOM 820 CB LYS A 56 -14.433 0.105 7.268 1.00 0.00 C ATOM 821 CG LYS A 56 -15.015 1.197 6.387 1.00 0.00 C ATOM 822 CD LYS A 56 -14.183 2.467 6.449 1.00 0.00 C ATOM 823 CE LYS A 56 -14.755 3.459 7.450 1.00 0.00 C ATOM 824 NZ LYS A 56 -14.208 3.245 8.818 1.00 0.00 N ATOM 0 H LYS A 56 -13.992 -1.334 5.315 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.795 -1.922 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.519 0.408 8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.370 0.003 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.067 0.845 5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.036 1.414 6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.158 2.219 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.144 2.926 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.530 4.474 7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.841 3.365 7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.988 3.233 9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.703 2.337 8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.551 4.016 9.054 1.00 0.00 H new ATOM 838 N GLU A 57 -17.253 -0.898 6.005 1.00 0.00 N ATOM 839 CA GLU A 57 -18.700 -0.730 5.941 1.00 0.00 C ATOM 840 C GLU A 57 -19.403 -2.083 5.878 1.00 0.00 C ATOM 841 O GLU A 57 -20.525 -2.234 6.358 1.00 0.00 O ATOM 842 CB GLU A 57 -19.085 0.114 4.724 1.00 0.00 C ATOM 843 CG GLU A 57 -19.414 1.558 5.065 1.00 0.00 C ATOM 844 CD GLU A 57 -20.891 1.773 5.332 1.00 0.00 C ATOM 845 OE1 GLU A 57 -21.690 1.658 4.379 1.00 0.00 O ATOM 846 OE2 GLU A 57 -21.248 2.055 6.495 1.00 0.00 O ATOM 0 H GLU A 57 -16.782 -0.852 5.101 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.020 -0.215 6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.265 0.097 4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -19.947 -0.341 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.842 1.859 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.100 2.202 4.244 1.00 0.00 H new ATOM 853 N GLU A 58 -18.732 -3.064 5.281 1.00 0.00 N ATOM 854 CA GLU A 58 -19.293 -4.404 5.153 1.00 0.00 C ATOM 855 C GLU A 58 -19.332 -5.109 6.506 1.00 0.00 C ATOM 856 O GLU A 58 -20.374 -5.613 6.927 1.00 0.00 O ATOM 857 CB GLU A 58 -18.474 -5.231 4.159 1.00 0.00 C ATOM 858 CG GLU A 58 -19.199 -5.502 2.851 1.00 0.00 C ATOM 859 CD GLU A 58 -18.643 -6.706 2.116 1.00 0.00 C ATOM 860 OE1 GLU A 58 -17.653 -7.293 2.600 1.00 0.00 O ATOM 861 OE2 GLU A 58 -19.200 -7.062 1.056 1.00 0.00 O ATOM 0 H GLU A 58 -17.801 -2.956 4.879 1.00 0.00 H new ATOM 0 HA GLU A 58 -20.314 -4.309 4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -17.541 -4.709 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.209 -6.182 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.258 -5.661 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.125 -4.623 2.210 1.00 0.00 H new ATOM 868 N LYS A 59 -18.190 -5.140 7.184 1.00 0.00 N ATOM 869 CA LYS A 59 -18.092 -5.781 8.490 1.00 0.00 C ATOM 870 C LYS A 59 -17.192 -4.978 9.424 1.00 0.00 C ATOM 871 O LYS A 59 -16.249 -4.322 8.981 1.00 0.00 O ATOM 872 CB LYS A 59 -17.550 -7.205 8.342 1.00 0.00 C ATOM 873 CG LYS A 59 -16.194 -7.272 7.661 1.00 0.00 C ATOM 874 CD LYS A 59 -15.888 -8.675 7.165 1.00 0.00 C ATOM 875 CE LYS A 59 -15.986 -8.764 5.650 1.00 0.00 C ATOM 876 NZ LYS A 59 -16.752 -9.965 5.213 1.00 0.00 N ATOM 0 H LYS A 59 -17.318 -4.728 6.850 1.00 0.00 H new ATOM 0 HA LYS A 59 -19.091 -5.822 8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.474 -7.660 9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.264 -7.799 7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -16.172 -6.576 6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -15.419 -6.955 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.887 -8.964 7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -16.583 -9.382 7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -16.468 -7.866 5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.984 -8.797 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.796 -9.989 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.279 -10.824 5.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -17.716 -9.921 5.600 1.00 0.00 H new ATOM 890 N SER A 60 -17.489 -5.035 10.718 1.00 0.00 N ATOM 891 CA SER A 60 -16.709 -4.311 11.714 1.00 0.00 C ATOM 892 C SER A 60 -16.243 -5.248 12.825 1.00 0.00 C ATOM 893 O SER A 60 -17.068 -5.945 13.412 1.00 0.00 O ATOM 894 CB SER A 60 -17.535 -3.169 12.308 1.00 0.00 C ATOM 895 OG SER A 60 -17.154 -2.907 13.648 1.00 0.00 O ATOM 0 H SER A 60 -18.265 -5.575 11.101 1.00 0.00 H new ATOM 0 HA SER A 60 -15.831 -3.896 11.220 1.00 0.00 H new ATOM 0 HB2 SER A 60 -17.403 -2.270 11.707 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.594 -3.425 12.271 1.00 0.00 H new ATOM 0 HG SER A 60 -17.696 -2.172 14.004 1.00 0.00 H new TER 901 SER A 60 HETATM 902 ZN ZN A 201 3.770 -0.994 -2.022 1.00 0.00 ZN